ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl docosanoate | C42H84NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl docosanoate

  • Molecular FormulaC42H84NO8P
  • Average mass762.092 Da
  • Monoisotopic mass761.593445 Da
  • ChemSpider ID24768933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl docosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(docosanoyloxy)-2-(pentadecanoyloxy)propoxy]phosphinic acid
1-Behenoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
1-docosanoyl-2-pentadecanoyl-glycero-3-phosphoethanolamine
1-docosanoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-(DOCOSANOYLOXY)-2-(PENTADECANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-(docosanoyloxy)-2-(pentadecanoyloxy)propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 769.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 418.9±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.36
ACD/LogD (pH 5.5): 11.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4269770.00
ACD/LogD (pH 7.4): 11.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3439876.75
Polar Surface Area: 144 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 767.2±3.0 cm3

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